3-[(7-bromanyl-1H-indazol-5-yl)amino]-4-[(3-methoxyphenyl)methylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(7-bromanyl-1H-indazol-5-yl)amino]-4-[(3-methoxyphenyl)methylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[(7-bromo-1H-indazol-5-yl)amino]-4-[(3-methoxyphenyl)methylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-[(7-bromo-1H-indazol-5-yl)amino]-4-[(3-methoxyphenyl)methylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[(7-bromo-1H-indazol-5-yl)amino]-4-[(3-methoxyphenyl)methylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-[(7-bromo-1H-indazol-5-yl)amino]-4-(m-anisylamino)cyclobut-3-ene-1,2-quinone Formula: C19H15BrN4O3 MolecularWeight: 427.2514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC2=C(C(=O)C2=O)NC3=CC(=C4C(=C3)C=NN4)Br

Isomeric SMILES

COC1=CC=CC(=C1)CNC2=C(C(=O)C2=O)NC3=CC(=C4C(=C3)C=NN4)Br

InChI

InChI=1S/C19H15BrN4O3/c1-27-13-4-2-3-10(5-13)8-21-16-17(19(26)18(16)25)23-12-6-11-9-22-24-15(11)14(20)7-12/h2-7,9,21,23H,8H2,1H3,(H,22,24)